کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
2081420 1545212 2006 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Optimizing the use of open-source software applications in drug discovery
موضوعات مرتبط
علوم زیستی و بیوفناوری بیوشیمی، ژنتیک و زیست شناسی مولکولی بیوتکنولوژی یا زیست‌فناوری
پیش نمایش صفحه اول مقاله
Optimizing the use of open-source software applications in drug discovery
چکیده انگلیسی

Drug discovery is a time consuming and costly process. Recently, a trend towards the use of in silico computational chemistry and molecular modeling for computer-aided drug design has gained significant momentum. This review investigates the application of free and/or open-source software in the drug discovery process. Among the reviewed software programs are applications programmed in JAVA, Perl and Python, as well as resources including software libraries. These programs might be useful for cheminformatics approaches to drug discovery, including QSAR studies, energy minimization and docking studies in drug design endeavors. Furthermore, this review explores options for integrating available computer modeling open-source software applications in drug discovery programs.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Drug Discovery Today - Volume 11, Issues 3–4, February 2006, Pages 127–132
نویسندگان
, , , , ,